N,N-diethyl-3-(ethylamino)-2-oxohexanamide

C12H24N2O2 — CID 88922315

IUPACN,N-diethyl-3-(ethylamino)-2-oxohexanamide
SMILESCCCC(NCC)C(=O)C(=O)N(CC)CC
InChIInChI=1S/C12H24N2O2/c1-5-9-10(13-6-2)11(15)12(16)14(7-3)8-4/h10,13H,5-9H2,1-4H3
InChIKeyWLVUPGMRMXDETC-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.20
Rot. Bonds8

About N,N-diethyl-3-(ethylamino)-2-oxohexanamide

N,N-diethyl-3-(ethylamino)-2-oxohexanamide (PubChem CID 88922315) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N,N-diethyl-3-(ethylamino)-2-oxohexanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(ethylamino)-2-oxohexanamide
PubChem CID88922315
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN,N-diethyl-3-(ethylamino)-2-oxohexanamide
SMILESCCCC(NCC)C(=O)C(=O)N(CC)CC
InChIInChI=1S/C12H24N2O2/c1-5-9-10(13-6-2)11(15)12(16)14(7-3)8-4/h10,13H,5-9H2,1-4H3
InChIKeyWLVUPGMRMXDETC-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethane;3-(ethylamino)hexan-2-one
CID 142933892
N,N-diethyl-3-methyl-2-oxononanamide
CID 71405261
2,5-dimethyloct-1-en-4-one
CID 115780450
N,N-diethyl-2-(hexan-3-ylamino)acetamide
CID 62117829
N,N-diethyl-2,3-dimethylbut-2-enamide
CID 566252
butane;2-(hydroxyamino)pentanoic acid
CID 90041467
(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid
CID 107565990
ethyl 4-(dimethylamino)-2-(ethylamino)butanoate
CID 63028800
2-(ethylamino)-4-[ethyl(methyl)amino]butanamide
CID 63029588
(2S)-2-[[ethyl(2-methylbutyl)carbamoyl]amino]pentanoic acid
CID 107567246
ethyl 2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanoate
CID 79482373
(6S)-4,6-dimethylnonan-5-one
CID 177467625

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(ethylamino)-2-oxohexanamide?
The IUPAC name of N,N-diethyl-3-(ethylamino)-2-oxohexanamide (CID 88922315) is N,N-diethyl-3-(ethylamino)-2-oxohexanamide.
What is the SMILES notation for N,N-diethyl-3-(ethylamino)-2-oxohexanamide?
The canonical SMILES for N,N-diethyl-3-(ethylamino)-2-oxohexanamide is CCCC(NCC)C(=O)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-3-(ethylamino)-2-oxohexanamide?
The InChIKey is WLVUPGMRMXDETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-9-10(13-6-2)11(15)12(16)14(7-3)8-4/h10,13H,5-9H2,1-4H3.
What are the key properties of N,N-diethyl-3-(ethylamino)-2-oxohexanamide?
N,N-diethyl-3-(ethylamino)-2-oxohexanamide has a molecular weight of 228.34 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(ethylamino)-2-oxohexanamide is sourced from PubChem (CID 88922315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).